4-acetamido-5-oxidanyl-naphthalene-1,7-disulfonic acid; 4-benzamido-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-acetamido-5-oxidanyl-naphthalene-1,7-disulfonic acid; 4-benzamido-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-acetamido-5-hydroxy-naphthalene-1,7-disulfonic acid; 4-benzamido-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid; 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-acetamido-5-hydroxynaphthalene-1,7-disulfonic acid; 4-benzamido-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-acetamido-5-hydroxy-naphthalene-1,7-disulfonic acid; 4-benzamido-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C29H24N2O16S4 MolecularWeight: 784.76466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O.C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C2C(=CC(=CC2=C(C=C1)S(=O)(=O)O)S(=O)(=O)O)O.C1=CC=C(C=C1)C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O

InChI

InChI=1S/C17H13NO8S2.C12H11NO8S2/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;1-6(14)13-9-2-3-11(23(19,20)21)8-4-7(22(16,17)18)5-10(15)12(8)9/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)